SCHEMBL9889057

SCHEMBL9889057

CC(=N)c1ccc(CC(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 5/20 0.56
▸ THRA P10827 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ ESR2 Q92731 4/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ F10 P00742 1/20 0.34
▸ LOXL2 Q9Y4K0 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ SLC6A2 P23975 2/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ BLM P54132 1/20 0.32
▸ EPHX2 P34913 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13071971 0.81 ESR1 (0.34) ESR1THRATHRBESR2KMT2A
SCHEMBL8224852 0.81 PRSS1 (0.57) ESR1THRATHRBF10LOXL2
SCHEMBL9917310 0.78 KMT2A (0.61) ESR1THRATHRBKMT2AEPHX2
SCHEMBL6685103 0.78 ESR1 (0.74) ESR1THRATHRBESR2SLC6A2
SCHEMBL14454663 0.78 ESR1 (0.50) ESR1THRATHRBESR2F10
SCHEMBL11583858 0.77 KMT2A (0.58) ESR1ESR2KMT2AF10LOXL2
SCHEMBL22486921 0.76 THRA (0.50) ESR1THRATHRBKMT2AEPHX2
SCHEMBL18644564 0.75 NOS3 (0.39) ESR1ESR2KMT2APRSS1PRSS2
SCHEMBL9969431 0.75 ESR1 (0.52) ESR1THRATHRBESR2KMT2A
SCHEMBL10308978 0.75 ALDH1A1 (0.54) KMT2APRSS1TAAR1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142718-A1 N-17-Alkylated Prodrugs of Opioids SIGNATURE THERAPEUTICS, INC. 2012-06-07 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120142718-A1 N-17-Alkylated Prodrugs of Opioids OPRM1, OPRD1, OPRL1 ESR1 254/4885THRA 171/4885THRB 311/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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